⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL23375910 | 0.69 | — | — | |
| SCHEMBL4181817 | 0.67 | — | — | |
| SCHEMBL24445052 | 0.62 | — | — | |
| SCHEMBL4169631 | 0.59 | — | — | |
| SCHEMBL294960 | 0.59 | — | — | |
| SCHEMBL10078044 | 0.59 | — | — | |
| SCHEMBL11332908 | 0.56 | — | — | |
| SCHEMBL4827166 | 0.56 | — | — | |
| SCHEMBL17762813 | 0.56 | — | — | |
| SCHEMBL10706715 | 0.56 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160096865-A1 | Peptide-Silica Hybrid Materials | UNIVERSITE DE MONTPELLIER I (FR) | 2016-04-07 | — | — | US | disclosed |
| EP-2435046-B1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS | OTSUKA PHARMA CO LTD (JP) | 2013-09-04 | — | — | EP | disclosed |
| EP-2081937-B1 | TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS | SGX PHARMACEUTICALS INC (US) | 2012-09-12 | — | — | EP | disclosed |
| WO-2007070398-A1 | POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS | SCHERING CORPORATION (US) | 2007-06-21 | — | — | WO | disclosed |
| US-5739083-A | LOW IN TOXICITY AND PERSISTENCE | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1998-04-14 | — | — | US | disclosed |
| EP-0802191-A1 | PYRAZOLE DERIVATIVES AND INSECTICIDAL COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENT | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1997-10-22 | — | — | EP | disclosed |